N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H16ClN5O — CID 7205529

IUPACN-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C19H16ClN5O/c1-12-3-6-14(7-4-12)25-19-15(10-23-25)18(21-11-22-19)24-13-5-8-17(26-2)16(20)9-13/h3-11H,1-2H3,(H,21,22,24)
InChIKeyWCQJOHBPPVCAJT-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.53
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 7205529) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID7205529
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C19H16ClN5O/c1-12-3-6-14(7-4-12)25-19-15(10-23-25)18(21-11-22-19)24-13-5-8-17(26-2)16(20)9-13/h3-11H,1-2H3,(H,21,22,24)
InChIKeyWCQJOHBPPVCAJT-UHFFFAOYSA-N
XLogP4.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 7205529) is N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WCQJOHBPPVCAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-12-3-6-14(7-4-12)25-19-15(10-23-25)18(21-11-22-19)24-13-5-8-17(26-2)16(20)9-13/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 365.82 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 7205529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).